1AQU
ESTROGEN SULFOTRANSFERASE WITH BOUND INACTIVE COFACTOR PAP AND 17-BETA ESTRADIOL
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.380, 80.390, 80.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25100 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 71494 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 83.4 | 80.2 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | EST WAS CRYSTALLIZED IN THE PRESENCE OF 4MM A3P AND THEN SOAKED IN A SATURATED SOLUTION OF 17BETA-ESTRADIOL., pH 6.5 |
